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Using crystal structure as template for 3D coordinates for new molecules
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|
3
|
1171
|
April 18, 2021
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|
Drug molecule similarity extraction from ChEMBL
|
|
1
|
920
|
April 15, 2021
|
|
¿Como hago une ejecutable (.exe) de un flujo en knime?
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|
1
|
1785
|
March 31, 2021
|
|
Drug discovery workflow
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4
|
1174
|
March 24, 2021
|
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SMARTS Pattern to exclude fused rings but include bridges rings
|
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3
|
1664
|
March 27, 2021
|
|
Cross validation Q2
|
|
3
|
1639
|
June 23, 2023
|
|
Tanimoto similarity using count-based fingerprints?
|
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4
|
3187
|
June 23, 2023
|
|
General SMARTS Patterns for any ring size
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5
|
1332
|
February 25, 2021
|
|
3D-e-Chem KRIPO-DB nodes issue
|
|
5
|
679
|
February 15, 2021
|
|
Implementation of MTNNGC_ADMET in KNIME
|
|
1
|
701
|
February 3, 2021
|
|
Generation of Murcko Scaffolds and additional ring assembly fragmentation
|
|
3
|
1074
|
February 3, 2021
|
|
SMARTS pattern to match rings
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|
3
|
1531
|
February 3, 2021
|
|
V4.3.0 Changes to file reader node with smiles
|
|
3
|
828
|
January 27, 2021
|
|
Online course question
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|
3
|
752
|
January 2, 2021
|
|
Altering the structure of a chemical compound
|
|
5
|
549
|
May 21, 2021
|
|
Identifying fragments of a multi-fragment structure
|
|
4
|
566
|
November 13, 2020
|
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Extracting data from MedChem patent?
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|
4
|
1252
|
May 3, 2021
|
|
Error using CCG node
|
|
1
|
388
|
October 28, 2020
|
|
Input data format for Model Acceptability Criteria node
|
|
8
|
991
|
June 23, 2023
|
|
Error in workflow execution with Padel
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|
3
|
1213
|
September 28, 2020
|
|
Similarity search with user defined coefficients
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|
4
|
801
|
August 7, 2020
|
|
chemical fingerprints in a regression
|
|
9
|
1140
|
January 14, 2021
|
|
Highlight and Label R-group decomposition
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|
1
|
448
|
July 8, 2020
|
|
Identify IUPAC Names from structures
|
|
5
|
1799
|
June 28, 2020
|
|
Doubts about pharmacophore features generated by silico-it align-it
|
|
4
|
1147
|
June 23, 2020
|
|
Enalos KNIME Nodes are now available
|
|
4
|
758
|
June 23, 2023
|
|
Marvin Sketcher as Editor of a predefined molecule
|
|
4
|
704
|
June 16, 2020
|
|
Struggling with the Similarity Search node
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|
2
|
602
|
June 23, 2023
|
|
Is it possible to do reactions without knowledge of the possible products
|
|
2
|
843
|
November 5, 2020
|
|
Good workflow for optimizing structure geometry?
|
|
6
|
1047
|
April 30, 2020
|